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Information card for entry 4501363
Preview
Coordinates | 4501363.cif |
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Original paper (by DOI) | HTML |
Formula | C35 H24 N4 Ni O4 S2 |
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Calculated formula | C35 H24 N4 Ni O4 S2 |
Title of publication | Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty |
Authors of publication | Sekiya, Ryo; Nishikiori, Shin-ichi |
Journal of publication | Crystal Growth & Design |
Year of publication | 2011 |
Journal volume | 11 |
Journal issue | 12 |
Pages of publication | 5574 |
a | 8.016 ± 0.003 Å |
b | 10.895 ± 0.004 Å |
c | 25.054 ± 0.006 Å |
α | 95.348 ± 0.016° |
β | 47.118 ± 0.014° |
γ | 109.109 ± 0.008° |
Cell volume | 1488.2 ± 0.9 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1022 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.0905 |
Weighted residual factors for all reflections included in the refinement | 0.1023 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.932 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179544 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/13. |
4501363.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501363.cif |
34876 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4501350, 4501351, 4501352, 4501353, 4501354, 4501355, 4501356, 4501357, 4501358, 4501359, 4501360, 4501361, 4501362, 4501363, 4501364, 4501365 via cif-deposit CGI script. |
4501363.cif |
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Users of the data should acknowledge the original authors of the
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